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Search term: OZOZCKVLUMXFGS (Found by InChIKey (skeleton match))

ChemSpider 2D Image | Asphodelin A | C15H10O6

Asphodelin A

  • Molecular FormulaC15H10O6
  • Average mass286.236 Da
  • Monoisotopic mass286.047729 Da
  • ChemSpider ID23278396

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2H-1-Benzopyran-2-one, 3-(2,4-dihydroxyphenyl)-4,7-dihydroxy- [ACD/Index Name]
3-(2,4-Dihydroxyphenyl)-4,7-dihydroxy-2H-chromen-2-on [German] [ACD/IUPAC Name]
3-(2,4-Dihydroxyphenyl)-4,7-dihydroxy-2H-chromen-2-one [ACD/IUPAC Name]
3-(2,4-Dihydroxyphényl)-4,7-dihydroxy-2H-chromén-2-one [French] [ACD/IUPAC Name]
Asphodelin A [Wiki]
923570-49-4 [RN]
  • Miscellaneous
    • Chemical Class:

      A hydroxycoumarin that is 4,7-dihydroxy-2<element>H</element>-chromen-2-one substituted by a 2,4-dihydroxyphenyl group at position 3. It is isolated from the roots of <ital>Asphodelus microcarpus</ita l> and exhibits antimicrobial activity against bacteria like <ital>Staphylococcus aureus</ital>, <ital>Escherichia coli</ital> and <ital>Pseudomonas aeruginosa</ital> and fungal microorganisms like <i tal>Candida albicans</ital> and <ital>Botrytis cinerea</ital>. ChEBI CHEBI:65453

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 641.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.1±3.0 kJ/mol
Flash Point: 249.2±25.0 °C
Index of Refraction: 1.785
Molar Refractivity: 71.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.79
ACD/LogD (pH 5.5): 0.71
ACD/BCF (pH 5.5): 1.03
ACD/KOC (pH 5.5): 15.68
ACD/LogD (pH 7.4): -1.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 107 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 98.9±3.0 dyne/cm
Molar Volume: 169.5±3.0 cm3

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